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1145671-36-8 | 6,7-Quinazolinediol, 4-chloro-
CAS No: 1145671-36-8 Catalog No: AG000EPJ MDL No:MFCD14582957
Product Description
Catalog Number:
AG000EPJ
Chemical Name:
6,7-Quinazolinediol, 4-chloro-
CAS Number:
1145671-36-8
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD14582957
IUPAC Name:
4-chloroquinazoline-6,7-diol
InChI:
InChI=1S/C8H5ClN2O2/c9-8-4-1-6(12)7(13)2-5(4)10-3-11-8/h1-3,12-13H
InChI Key:
UNQTWJOLTBKYPZ-UHFFFAOYSA-N
SMILES:
Oc1cc2c(cc1O)ncnc2Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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